A molecular electronegativity distance vector(M)based on 13 atomic types has been used to describe the structures of 19 conjugates(LHCc)of levofloxacin-thiadiazole HDAC inhibitor(HDACi)and related inhibitory activitie...A molecular electronegativity distance vector(M)based on 13 atomic types has been used to describe the structures of 19 conjugates(LHCc)of levofloxacin-thiadiazole HDAC inhibitor(HDACi)and related inhibitory activities(pH,i=1,2,6)of LHCc against histone deacetylases(HDACs,such as HDAC1,HDAC2 and HDAC6).The quantitative structure-activity relationships(QSAR)were established by using leaps-and-bounds regression analysis for the inhibitory activities(pH)of 19 above compounds to HDAC1,HDAC2 and HDAC6 along with M.The correlation coefficients(R~2)and the leave-one-out(LOO)cross validation Rfor the pH,pHand pHmodels were 0.976 and 0.949;0.985 and 0.977;0.976 and 0.932,respectively.The QSAR models had favorable correlations,as well as robustness and good prediction capability by R~2,F,R~2,A,Fand Vtests.Validated by using 3876 training sets,the models have good external prediction ability.The results indicate that the molecular structural units:–CH–(g=1,2),–NH,–OH,=O,–O–and–S–are the main factors which can affect the inhibitory activity of pH,pHas well as pHbioactivities of these compounds directly.Accordingly,the main interactions between HDACs inhibitor and HDACs are hydrophobic interaction,hydrogen bond,and coordination with Znto form compounds,which is consistent with the results in reports.展开更多
Objective:To explore pancreatic lipase inhibitory activity under different extraction conditions in order to track the most potent extract.Methods:The methanolic extract and its fractions in solvents of increasing pol...Objective:To explore pancreatic lipase inhibitory activity under different extraction conditions in order to track the most potent extract.Methods:The methanolic extract and its fractions in solvents of increasing polarity,ether,chloroform,ethyl acetate,n-butanol and water,were made through cold maceration.Extracts in ethanol,ethyl acetate,acetone and chloroform were similarly prepared.Aqueous extract was prepared through hot decoction method.A reported method was used to determine lipase inhibitory activity of extracts and fractions over wide ranges of concentrations.Results:The extracts and fractions exhibited concentration dependent activity.The IC50(μg/mL)values of methanolic,ethanolic,chloroform,ethyl acetate,acetone,ethyl acetate(after washing with water)and aqueous decoction were 293.40,266.47,157.59,182.12,352.34,257.00,and 190.00,respectively.The activity of chloroform,ethyl acetate and aqueous extracts were close to that of the drug orlistat(IC50 146μg/mL).Out of the fractions of the methanolic extract,the chloroform fraction was most active(IC50 189.6μg/mL).The order of inhibitory activity of the fractions was as follows:chloroform>ether>n-butanolic>aqueous>ethyl acetate.The GC/MS analysis of the most active chloroform faction showed the presence of hexadecanoic acid,methyl hexadecanoate,isopropyl palmitate,methyl 9,12-octadecadienate,and methyl 9,12,15-octadecatrienoate.Conclusions:The study suggests that Lagenaria siceraria has potential to inhibit pancreatic lipase activity,suppressing lipid digestion and thereby diminishing entry of lipids into the body.Regular intake of aqueous decoction of the fruit may therefore be recommended for control of obesity.Fatty acids and their esters may play role as inhibitors of lipase.展开更多
[Objective] This study aimed to analyze the in vitro inhibitory activity of Shisandra chinensis and Polygonatum sibiricum against Vibrio harveyi and its biofilms. [Result] By agar diffusion test, in vit...[Objective] This study aimed to analyze the in vitro inhibitory activity of Shisandra chinensis and Polygonatum sibiricum against Vibrio harveyi and its biofilms. [Result] By agar diffusion test, in vitro inhibitory activity of 5. chinensis and P. sibiricum against V. harveyi was investigated. The minimal inhibitory concentration （ MIC） and minimal bactericidal concentration （MBC） of 5. chinensis and P. sibiricum against V. harveyi were determined by doubling dilution meth-od. The inhibitory activity of 5. chinensis and P. sibiricum on the formation of V. harveyi biofilms was evaluated by modified MTT assay. [ Result ] Both 5. chinen-sis and P. sibiricum had inhibitory activity against V. harveyi. The inhibition zone diameter of 5. chinensis against V. harveyi was 17. 95 mm; MIC and MBC of 5. chinensis were both 3.125 mg/ml. The inhibition zone diameter of P. sibiricum against V. harveyi was 12. 22 mm; MIC and MBC of P. sibiricum were 3.125 and 6.250 mg/ml, respectively. When the concentration was higher than 6. 25 mg/ml, 5. chinensis decoction had extremely significant inhibitory activity against V. harveyi （P 〈 0. 01） ; when the concentration was higher than 3. 125 mg/ml, P. sibiricum had extremely significant inhibitory activity against V. harveyi （P 〈0. 01）. [ Conclusion] 5. chinensis and P. sibiricum could significantly inhibit V. harveyi and its biofilms.展开更多
The objective of this study was to isolate and identify the intracellular bioactive peptides from mouse lymphocytes before and after lipopolysaccharide(LPS)stimulation,to explore novel peptides and to research the bio...The objective of this study was to isolate and identify the intracellular bioactive peptides from mouse lymphocytes before and after lipopolysaccharide(LPS)stimulation,to explore novel peptides and to research the bioactive function.Mouse spleen lymphocytes were isolated and cultured with LPS stimulation(experimental group)or not(control group)to collect intracellular peptides.Totally 385 peptides were analyzed by nanoliter liquid phase-Q Exactive quadrupole ultra-high resolution orbitrap mass spectrometer(Nano LC-Q Exactive Plus)and identifi ed by PEAKS X software.After compared with peptides reported,131 novel peptides were discovered,which then were predicted bioactivity by Peptide Ranker and 6 peptides with high bioactivity were predicted function by BIOPEP-UMW database.Prediction data showed that they may have dipeptidyl peptidase IV(DPP-IV)inhibitory activity.Finally,two peptides showed better potent inhibition were verifi ed with competitive and noncompetitive modes.展开更多
The replacement of the disulfide bridge of CPI-1, a peptide inhibitor of light chain of Botulinum toxin serotype A, with the thioether-containing and biscarba-containing diaminodiacid bridge leads to a significant dec...The replacement of the disulfide bridge of CPI-1, a peptide inhibitor of light chain of Botulinum toxin serotype A, with the thioether-containing and biscarba-containing diaminodiacid bridge leads to a significant decrease in the degradation by trypsin and increase in the detoxification activity in vivo, the addition of hydrophobic or positive amino acid at C-terminus of modified peptides further improves the inhibitory activity.展开更多
The purpose of this study was to develop liposomal formulations of Asparagus racemosus root extract(AR1-6)as well as evaluate the physicochemical properties and in vitro tyrosinase inhibitory activity.Liposomes compos...The purpose of this study was to develop liposomal formulations of Asparagus racemosus root extract(AR1-6)as well as evaluate the physicochemical properties and in vitro tyrosinase inhibitory activity.Liposomes composed of AR1-6 to lipid weight ratio of 1:10 and lecithin(LEC)or Phospholipon90G(PC90G)as structural phospholipid at 7:3 molar ratio to CHOL were prepared by various methods,i.e.chloroform-film(CF),reverse-phase evaporation(REV),polyol dilution(PD),and freeze-drying of monophase solution(MFD)methods.The results revealed that vesicles prepared by CF and MFD were multilamellar whereas those prepared by REV and PD were oligolamellar in nature with particle sizes ranging from 0.26 to 13.83 mm.The zeta potentials were in the range of1.5 to39.3 mV.AR1-6 liposomes with LEC possessed significantly higher entrapment than those with PC90G.The highest entrapment efficiency and in vitro tyrosinase inhibitory activity of 69.08%and 25%,respectively,were obtained from liposomes having LEC and prepared by PD method.The tyrosinase inhibitory activity were in the rank order of LEC>PC90G,and PD>CF>REV>MFD.It could be concluded that the mechanism of vesicle forming in each method of preparation was the key factor influencing physicochemical properties,particularly vesicle type,size,surface charge,and entrapment,which were well correlated with the biological activity.展开更多
A chloro-bridged dinuclear copper（H） complex with ligand 2-pyridylme-thylene- furfurylamine has been synthesized and characterized by single-crystal X-ray diffraction, and its inhibitory activity on xanthine oxidase...A chloro-bridged dinuclear copper（H） complex with ligand 2-pyridylme-thylene- furfurylamine has been synthesized and characterized by single-crystal X-ray diffraction, and its inhibitory activity on xanthine oxidase （XO） was also evaluated. It crystallizes in the triclinic system, space group P 1 with a = 8.0441（16）, b = 8.5663（17）, c = 10.060（2）A, α = 77.52（3）, β = 72.04（3）, γ = 70.12（3）°, V = 615.3（2）A^3, Z = 1, Dc = 1.731 g/cm^3, F（000） = 322, the final R = 0.0401 and wR = 0.0934 for 1971 observed reflections with I 〉 2σ（I）. X-ray analysis reveals that the Cu（II） cation is five-coordinated by two N atoms of Schiff base and three Cl anions. The C-H…Cl intermolecular and intramolecular hydrogen bonds connect the molecules to form a three-dimensional network. This copper（II） complex shows more potent inhibitory activity against XO with IC50 = 3.48μM than the standard inhibitor allopurinol.展开更多
Eight 16,17-pyrazo-annulated steroidal derivatives were synthesized and evaluated in vitro vascular endothelial growth factor （VEGF） inhibitory activity with 2-methoxyestradiol （2-ME） as the reference compound. Mo...Eight 16,17-pyrazo-annulated steroidal derivatives were synthesized and evaluated in vitro vascular endothelial growth factor （VEGF） inhibitory activity with 2-methoxyestradiol （2-ME） as the reference compound. Most of the compounds showed potent VEGF inhibitory activity with ECs0 values of micromolar or submicromolar range. Among them, the compounds 3 and 8 exhibited similar EC50 values and obviously better TI values compared with 2-ME.展开更多
Polyphenols could effectively prevent and alleviate many chronic diseases.However,the low solubility,poor stability,and bioaccessibility of certain bioactive ingredients have limited the development of functional food...Polyphenols could effectively prevent and alleviate many chronic diseases.However,the low solubility,poor stability,and bioaccessibility of certain bioactive ingredients have limited the development of functional foods.In this study,ultrasonication,free radical and their combination(ultrasonication/free radical)were used to prepare β-lactoglobulin(LG)-chlorogenic acid(CA)complexes.The complex was used as a shell to encapsulate curcumin(Cur),forming a ternary complex through anti-solvent method.Moreover,the digestive properties of the delivery system were evaluated by in vitro digestion simulation.Encapsulation by LG/LG-CA resulted in a controlled release of Cur which decreased Cur release in the oral and gastric phases while increased Cur release in intestinal digestion phase.In addition,LG-CA-Cur complex significantly inhibited the enzymatic activity of α-amylase andα-glucosidase.These findings indicated the potential of LG-CA complexes as an efficient carrier for Cur delivery and could be further used to develop functional dairy products with hypoglycemic activity.展开更多
Hypertension is very harmful to health.Tartary buckwheat(TB)is a healthy food,and its peptides have been proven to have anti-hypertensive effects.However,about 70%of TB is starch,which is unnecessary for its antihyper...Hypertension is very harmful to health.Tartary buckwheat(TB)is a healthy food,and its peptides have been proven to have anti-hypertensive effects.However,about 70%of TB is starch,which is unnecessary for its antihypertensive function.In order to degrade starch in TB,amylolytic lactic acid bacteria(ALABs)were screened from food raw materials and explored to ferment TB in this study.Forty-eight ALABs capable of degrading soluble starch were obtained,among which Lactobacillus pentosus CF55,Lactiplantibacillus plantarum CF60,Lp.plantarum CF66,and Lb.sp.CF80 all exhibited degradation rate of over 88%and were safe strains.Then TB was used as the sole carbon source and fermented by each of these 4 strains.After fermentation,lots of pores and voids were presented in TB.The chemical bonds and crystal structure of TB starch did not change,but the shortrange orderliness of TB starch decreased,while the relative crystallization increased from 2.53%to 4.52%–5.79%,and the gelatinization enthalpy increased by 0.20–1.21 J/g.Importantly,TB starch was significantly degraded after fermentation,with the degradation rate reaching 43.68%–78.36%,and the remaining starch could be digested easier during gastrointestinal simulation.In addition,similar total amount of TB protein could be extracted and the derived TB peptide(TBP)showed strong hypotensive activity,among which the angiotensin converting enzyme inhibition rate of CF80-fermented TBP increased from 81.56%to 91.84%.Furthermore,the polyphenols and flavonoids contents increased by 49%–201%.This study provides novel strategy for improving the function of TB.展开更多
This study investigated the DPP-IV inhibitory activity of taste-modulating peptides from porcine bone and elucidated their inhibitory mechanisms.Sensory evaluation identified seven peptides with effects on umami taste...This study investigated the DPP-IV inhibitory activity of taste-modulating peptides from porcine bone and elucidated their inhibitory mechanisms.Sensory evaluation identified seven peptides with effects on umami taste or saltiness enhancement.Computational tools predicted that they all possessed DPP-IV inhibitory potential.Post-digestion,GPTAANRM,GPGCKAGL,NLRDNYRF and GVNAMLRK exhibited superior DPP-IV inhibition(IC_(50):206.16-317.59μmol/L).Molecular docking revealed that all these four peptides interacted with active residues in S1,S2 and S3 pocket of DPP-IV and the Lineweaver-Burk plots indicated their competitive inhibition mechanism.All these peptides alleviated insulin resistance in HepG2 cells to some extent,with GPTAANRM and GPGCKAGL notably reducing the blood glucose curve area in C57BL/6 J mice.This research enhances our understanding of the beneficial role of taste-modulating peptides in diabetes management and suggests their potential in developing dietary strategies to optimize glycemic control in diabetic individuals.展开更多
Ganoderma is a well-known type of medicine food homology fungal taxa and is frequently utilized as a dietary supplement in traditional healthcare practices across Asian countries.With the development of molecular biol...Ganoderma is a well-known type of medicine food homology fungal taxa and is frequently utilized as a dietary supplement in traditional healthcare practices across Asian countries.With the development of molecular biology,an increasing number of Ganoderma species have been sorted out,making it necessary to further clarify the chemical composition of these species.The extracts collected from thirteen Ganoderma species were analyzed using LC-MS/MS and their metabolites were organized into a molecular network mapped with taxonomic information,which was used to determine the priority species.The subsequent MS-guided isolation of the solid culture of Ganoderma shandongense led to the discovery of 11 new triterpenoids(1-11)and 2 known ones(12–13).Their structures were confirmed by HRESIMS and NMR spectra.The absolute configurations were established by NMR calculations,modified Mosher’s method,and Mo_(2)(OAc)4-induced ECD analyses.The inhibitory effects of all compounds on AChE were assessed,and compounds 1,6,and 12 demonstrated better performance than the positive control,with IC_(50) values of 24.91,31.52,and 16.39μM,respectively.In addition,kinetic studies indicated that both 1 and 6 operate as mixed-type inhibitors,and the CD spectra revealed that 1 and 6 induced alterations in the secondary structure of AChE.Molecular docking suggested that 1 and 6 bind to the peripheral anionic site to inhibit AChE catalytic activity.展开更多
Otteacumienes G-K(1-5),five pairs of enantiomeric diarylheptanoids,along with one undescribed diarylhepta-noid glycoside and one new lignan,were isolated from Ottelia acuminata var.acuminata.Compounds 1-5 were identif...Otteacumienes G-K(1-5),five pairs of enantiomeric diarylheptanoids,along with one undescribed diarylhepta-noid glycoside and one new lignan,were isolated from Ottelia acuminata var.acuminata.Compounds 1-5 were identified as five pairs of enantiomers and their structural configurations were determined through a combination of spectroscopic analysis,X-ray crystallography,and ECD calculation.Notably,compound 6 was the first diarylhep-tanoid glycoside isolated from this aquatic species,and its absolute configuration was unequivocally established through semi-synthesis.Biological evaluation demonstrated that compound 1 exhibited α-glucosidase inhibitory activity,with an inhibition ratio of 38.97%(acarbose as the positive control,inhibition ratio=13.52%).展开更多
This study focused on the development of interpretable Quantitative Structure-Activity Relationship(QSAR)models to identify saponins with lipase inhibitory activity.A total of 50 saponins were screened to extract comm...This study focused on the development of interpretable Quantitative Structure-Activity Relationship(QSAR)models to identify saponins with lipase inhibitory activity.A total of 50 saponins were screened to extract common structural features,and the SHAP algorithm was utilized to evaluate the contributions of R-groups to activity variations.Using six machine learning techniques combined with four molecular fingerprints,22 NAT-QSAR models were constructed to investigate the influence of R-groups on saponin activity.Among these,the NAT-QSAR1 model,developed with the Gaussian Process algorithm and ECFP4 fingerprinting,demonstrated superior interpretability(ACC=0.8125)and predictive accuracy(R^(2)=0.8320,RMSE=0.3586).The model identified 77 potential saponin structures with lipase inhibitory properties.Molecular docking further pinpointed two saponins,α-Boswellic acid and Gypsogenin,as novel lipase inhibitors.Subsequent analyses revealed strong binding affinities for these compounds,and in vitro assays confirmed their inhibitory effects,with IC50 values of 38μM and 101μM,respectively.This study provides a novel framework for developing dietary supplements targeting obesity and offers insights into the design of lipase inhibitors.展开更多
Suaeda physophora Pall.is a kind of desert plant mostly growing in saline habitats in Xinjiang Uygur Autonomous Region.In order to have a better utilization of halophytes,a screening for ACE inhibitors from halophytes...Suaeda physophora Pall.is a kind of desert plant mostly growing in saline habitats in Xinjiang Uygur Autonomous Region.In order to have a better utilization of halophytes,a screening for ACE inhibitors from halophytes growing in Xinjiang was carried out.The result showed that the 70%EtOH extract and n-BuOH extract of S.physophora Pall.possessed significant ACE inhibitory activities.So we focused on its biochemical constituents firstly.One new quinazoline alkaloid,namely Suaedine(1),along with six known compounds(2–7)was isolated from the aerial parts of S.physophora Pall.The structure of the new quinazoline alkaloid was established by one-and two-dimensional nuclear magnetic resonance,optical rotation and mass spectrometry analysis.The flavonoid compounds(2–4)and phenolic compound(5)exhibited significant ACE activities.It was the first time to focus on the chemical constituents and bioactivities of this plant.展开更多
Acarbose is a potent glycosidase inhibitor widely used in the clinical treatment of type 2 diabetes mellitus(T2DM).Various acarbose analogs have been identified while exploring compounds with improved pharmacological ...Acarbose is a potent glycosidase inhibitor widely used in the clinical treatment of type 2 diabetes mellitus(T2DM).Various acarbose analogs have been identified while exploring compounds with improved pharmacological properties.In this study,we found that AcbE from Actinoplanes sp.SE50/110 catalyzes the production of acarbose analogs that exhibit significantly improved inhibitory activity towardsα-amylase than acarbose.Recombinant AcbE mainly catalyzed the formation of two new compounds,namely acarstatins A and B,using acarbose as substrate.Using high-resolution mass spectrometry,nuclear magnetic resonance,and glycosidase hydrolysis,we elucidated their chemical structures as O-α-d-maltosyl-(1→4)-acarbose and O-α-d-maltotriosyl-(1→4)-acarbose,respectively.Acarstatins A and B exhibited 1584-and 1478-fold greater inhibitory activity towards human salivaryα-amylase than acarbose.Furthermore,both acarstatins A and B exhibited complete resistance to microbiome-derived acarbose kinase 1-mediated phosphorylation and partial resistance to acarbose-preferred glucosidase-mediated hydrolysis.Therefore,acarstatins A and B have great potential as candidate therapeutic agents for T2DM.展开更多
A simple and efficient HPLC method was developed for quality analysis of flavonoids from Impatiens balsamina L.(IBL)flowers,which were collected from Xingjiang,Anhui,Henan,and Hubei provinces in China.The flavonoids s...A simple and efficient HPLC method was developed for quality analysis of flavonoids from Impatiens balsamina L.(IBL)flowers,which were collected from Xingjiang,Anhui,Henan,and Hubei provinces in China.The flavonoids substances in IBL were determined by HPLC through methyl alcohol ultrasonic extraction.A mixture of展开更多
Tumor necrosis factor α （TNF-α） and interferon-γ （IFN-γ） are cytokines with strong antitumor activities. They were reacted with a photoactive arylazide-4-azidobenzoic acid, resulting in photoactive TNF-α and ...Tumor necrosis factor α （TNF-α） and interferon-γ （IFN-γ） are cytokines with strong antitumor activities. They were reacted with a photoactive arylazide-4-azidobenzoic acid, resulting in photoactive TNF-α and IFN-γ. The infrared （IR） spectra of these products showed the characteristic absorption of an azido group at 2127 cm^-1. By photo-immobilization, this modified TNF-α and IFN-γ were immobilized on polystyrene membranes for cell culture to prepare biomaterials. The micro-morphology of photoactive cytokines was observed with a scanning electron microscope （SEM）. The inhibitory effect on growth of Hela cells and inducing apoptosis activity of these two cytokines were analyzed by growth curve, transmission electron microscope （TEM） and fluorescence active cell sorter （FACS）. The results showed that co-immobilization of IFN-γ and TNF-α had significant inhibitory effect on growth of Hela cells, inhibitory rate up to 82%, and IFN-γ had obviously synergistic action.展开更多
基金supported by the National Natural Science Foundation of China(21473081,21075138)special fund of State Key Laboratory of Structure Chemistry(20160028)
文摘A molecular electronegativity distance vector(M)based on 13 atomic types has been used to describe the structures of 19 conjugates(LHCc)of levofloxacin-thiadiazole HDAC inhibitor(HDACi)and related inhibitory activities(pH,i=1,2,6)of LHCc against histone deacetylases(HDACs,such as HDAC1,HDAC2 and HDAC6).The quantitative structure-activity relationships(QSAR)were established by using leaps-and-bounds regression analysis for the inhibitory activities(pH)of 19 above compounds to HDAC1,HDAC2 and HDAC6 along with M.The correlation coefficients(R~2)and the leave-one-out(LOO)cross validation Rfor the pH,pHand pHmodels were 0.976 and 0.949;0.985 and 0.977;0.976 and 0.932,respectively.The QSAR models had favorable correlations,as well as robustness and good prediction capability by R~2,F,R~2,A,Fand Vtests.Validated by using 3876 training sets,the models have good external prediction ability.The results indicate that the molecular structural units:–CH–(g=1,2),–NH,–OH,=O,–O–and–S–are the main factors which can affect the inhibitory activity of pH,pHas well as pHbioactivities of these compounds directly.Accordingly,the main interactions between HDACs inhibitor and HDACs are hydrophobic interaction,hydrogen bond,and coordination with Znto form compounds,which is consistent with the results in reports.
基金Pakistan Science Foundation(PSF),Islamabad,for its financial support for the study(PSF/NSLP/P-FCCU)
文摘Objective:To explore pancreatic lipase inhibitory activity under different extraction conditions in order to track the most potent extract.Methods:The methanolic extract and its fractions in solvents of increasing polarity,ether,chloroform,ethyl acetate,n-butanol and water,were made through cold maceration.Extracts in ethanol,ethyl acetate,acetone and chloroform were similarly prepared.Aqueous extract was prepared through hot decoction method.A reported method was used to determine lipase inhibitory activity of extracts and fractions over wide ranges of concentrations.Results:The extracts and fractions exhibited concentration dependent activity.The IC50(μg/mL)values of methanolic,ethanolic,chloroform,ethyl acetate,acetone,ethyl acetate(after washing with water)and aqueous decoction were 293.40,266.47,157.59,182.12,352.34,257.00,and 190.00,respectively.The activity of chloroform,ethyl acetate and aqueous extracts were close to that of the drug orlistat(IC50 146μg/mL).Out of the fractions of the methanolic extract,the chloroform fraction was most active(IC50 189.6μg/mL).The order of inhibitory activity of the fractions was as follows:chloroform>ether>n-butanolic>aqueous>ethyl acetate.The GC/MS analysis of the most active chloroform faction showed the presence of hexadecanoic acid,methyl hexadecanoate,isopropyl palmitate,methyl 9,12-octadecadienate,and methyl 9,12,15-octadecatrienoate.Conclusions:The study suggests that Lagenaria siceraria has potential to inhibit pancreatic lipase activity,suppressing lipid digestion and thereby diminishing entry of lipids into the body.Regular intake of aqueous decoction of the fruit may therefore be recommended for control of obesity.Fatty acids and their esters may play role as inhibitors of lipase.
基金Supported by Project of Enhancing School with Innovation of Guangdong Ocean University(GDOU2015050216)Major Program for the Fundamental Research of the Department of Education of Guangdong Province(2014GKXM046)International Cooperation Innovation Platform Project of Universities in Guangdong Province(2013gjhz0008)
文摘[Objective] This study aimed to analyze the in vitro inhibitory activity of Shisandra chinensis and Polygonatum sibiricum against Vibrio harveyi and its biofilms. [Result] By agar diffusion test, in vitro inhibitory activity of 5. chinensis and P. sibiricum against V. harveyi was investigated. The minimal inhibitory concentration （ MIC） and minimal bactericidal concentration （MBC） of 5. chinensis and P. sibiricum against V. harveyi were determined by doubling dilution meth-od. The inhibitory activity of 5. chinensis and P. sibiricum on the formation of V. harveyi biofilms was evaluated by modified MTT assay. [ Result ] Both 5. chinen-sis and P. sibiricum had inhibitory activity against V. harveyi. The inhibition zone diameter of 5. chinensis against V. harveyi was 17. 95 mm; MIC and MBC of 5. chinensis were both 3.125 mg/ml. The inhibition zone diameter of P. sibiricum against V. harveyi was 12. 22 mm; MIC and MBC of P. sibiricum were 3.125 and 6.250 mg/ml, respectively. When the concentration was higher than 6. 25 mg/ml, 5. chinensis decoction had extremely significant inhibitory activity against V. harveyi （P 〈 0. 01） ; when the concentration was higher than 3. 125 mg/ml, P. sibiricum had extremely significant inhibitory activity against V. harveyi （P 〈0. 01）. [ Conclusion] 5. chinensis and P. sibiricum could significantly inhibit V. harveyi and its biofilms.
文摘The objective of this study was to isolate and identify the intracellular bioactive peptides from mouse lymphocytes before and after lipopolysaccharide(LPS)stimulation,to explore novel peptides and to research the bioactive function.Mouse spleen lymphocytes were isolated and cultured with LPS stimulation(experimental group)or not(control group)to collect intracellular peptides.Totally 385 peptides were analyzed by nanoliter liquid phase-Q Exactive quadrupole ultra-high resolution orbitrap mass spectrometer(Nano LC-Q Exactive Plus)and identifi ed by PEAKS X software.After compared with peptides reported,131 novel peptides were discovered,which then were predicted bioactivity by Peptide Ranker and 6 peptides with high bioactivity were predicted function by BIOPEP-UMW database.Prediction data showed that they may have dipeptidyl peptidase IV(DPP-IV)inhibitory activity.Finally,two peptides showed better potent inhibition were verifi ed with competitive and noncompetitive modes.
基金supported by the National Key Research and Development Project of China (2017YFC1200905)。
文摘The replacement of the disulfide bridge of CPI-1, a peptide inhibitor of light chain of Botulinum toxin serotype A, with the thioether-containing and biscarba-containing diaminodiacid bridge leads to a significant decrease in the degradation by trypsin and increase in the detoxification activity in vivo, the addition of hydrophobic or positive amino acid at C-terminus of modified peptides further improves the inhibitory activity.
基金The financial support from the Thai Herbal NanoCosmeceuticals Coordinated Research Program,National Nanotechnology Center,National Science and Technology Development Agency,Thailand is gratefully acknowledged.
文摘The purpose of this study was to develop liposomal formulations of Asparagus racemosus root extract(AR1-6)as well as evaluate the physicochemical properties and in vitro tyrosinase inhibitory activity.Liposomes composed of AR1-6 to lipid weight ratio of 1:10 and lecithin(LEC)or Phospholipon90G(PC90G)as structural phospholipid at 7:3 molar ratio to CHOL were prepared by various methods,i.e.chloroform-film(CF),reverse-phase evaporation(REV),polyol dilution(PD),and freeze-drying of monophase solution(MFD)methods.The results revealed that vesicles prepared by CF and MFD were multilamellar whereas those prepared by REV and PD were oligolamellar in nature with particle sizes ranging from 0.26 to 13.83 mm.The zeta potentials were in the range of1.5 to39.3 mV.AR1-6 liposomes with LEC possessed significantly higher entrapment than those with PC90G.The highest entrapment efficiency and in vitro tyrosinase inhibitory activity of 69.08%and 25%,respectively,were obtained from liposomes having LEC and prepared by PD method.The tyrosinase inhibitory activity were in the rank order of LEC>PC90G,and PD>CF>REV>MFD.It could be concluded that the mechanism of vesicle forming in each method of preparation was the key factor influencing physicochemical properties,particularly vesicle type,size,surface charge,and entrapment,which were well correlated with the biological activity.
基金the National Natural Science Foundation of China (No. 649620)
文摘A chloro-bridged dinuclear copper（H） complex with ligand 2-pyridylme-thylene- furfurylamine has been synthesized and characterized by single-crystal X-ray diffraction, and its inhibitory activity on xanthine oxidase （XO） was also evaluated. It crystallizes in the triclinic system, space group P 1 with a = 8.0441（16）, b = 8.5663（17）, c = 10.060（2）A, α = 77.52（3）, β = 72.04（3）, γ = 70.12（3）°, V = 615.3（2）A^3, Z = 1, Dc = 1.731 g/cm^3, F（000） = 322, the final R = 0.0401 and wR = 0.0934 for 1971 observed reflections with I 〉 2σ（I）. X-ray analysis reveals that the Cu（II） cation is five-coordinated by two N atoms of Schiff base and three Cl anions. The C-H…Cl intermolecular and intramolecular hydrogen bonds connect the molecules to form a three-dimensional network. This copper（II） complex shows more potent inhibitory activity against XO with IC50 = 3.48μM than the standard inhibitor allopurinol.
基金supported by grants from the National Natural Science Foundation of China awarded to P.Xia (No.20272010) and Y.Chen(No.30200348 and 30873164)the National Drug Innovative Program(No.2009ZX09301-011) for partial support
文摘Eight 16,17-pyrazo-annulated steroidal derivatives were synthesized and evaluated in vitro vascular endothelial growth factor （VEGF） inhibitory activity with 2-methoxyestradiol （2-ME） as the reference compound. Most of the compounds showed potent VEGF inhibitory activity with ECs0 values of micromolar or submicromolar range. Among them, the compounds 3 and 8 exhibited similar EC50 values and obviously better TI values compared with 2-ME.
基金financially supported by the Open Project of China Food Flavor and Nutrition Health Innovation Center(No.CFC2023B-023)Beijing Nova Program(No.20230484307)+1 种基金Zhejiang Provincial Natural Science Foundation of China(LZ24C200006)National Natural Science Foundation of China(No.32372469 and 31871763).
文摘Polyphenols could effectively prevent and alleviate many chronic diseases.However,the low solubility,poor stability,and bioaccessibility of certain bioactive ingredients have limited the development of functional foods.In this study,ultrasonication,free radical and their combination(ultrasonication/free radical)were used to prepare β-lactoglobulin(LG)-chlorogenic acid(CA)complexes.The complex was used as a shell to encapsulate curcumin(Cur),forming a ternary complex through anti-solvent method.Moreover,the digestive properties of the delivery system were evaluated by in vitro digestion simulation.Encapsulation by LG/LG-CA resulted in a controlled release of Cur which decreased Cur release in the oral and gastric phases while increased Cur release in intestinal digestion phase.In addition,LG-CA-Cur complex significantly inhibited the enzymatic activity of α-amylase andα-glucosidase.These findings indicated the potential of LG-CA complexes as an efficient carrier for Cur delivery and could be further used to develop functional dairy products with hypoglycemic activity.
文摘Hypertension is very harmful to health.Tartary buckwheat(TB)is a healthy food,and its peptides have been proven to have anti-hypertensive effects.However,about 70%of TB is starch,which is unnecessary for its antihypertensive function.In order to degrade starch in TB,amylolytic lactic acid bacteria(ALABs)were screened from food raw materials and explored to ferment TB in this study.Forty-eight ALABs capable of degrading soluble starch were obtained,among which Lactobacillus pentosus CF55,Lactiplantibacillus plantarum CF60,Lp.plantarum CF66,and Lb.sp.CF80 all exhibited degradation rate of over 88%and were safe strains.Then TB was used as the sole carbon source and fermented by each of these 4 strains.After fermentation,lots of pores and voids were presented in TB.The chemical bonds and crystal structure of TB starch did not change,but the shortrange orderliness of TB starch decreased,while the relative crystallization increased from 2.53%to 4.52%–5.79%,and the gelatinization enthalpy increased by 0.20–1.21 J/g.Importantly,TB starch was significantly degraded after fermentation,with the degradation rate reaching 43.68%–78.36%,and the remaining starch could be digested easier during gastrointestinal simulation.In addition,similar total amount of TB protein could be extracted and the derived TB peptide(TBP)showed strong hypotensive activity,among which the angiotensin converting enzyme inhibition rate of CF80-fermented TBP increased from 81.56%to 91.84%.Furthermore,the polyphenols and flavonoids contents increased by 49%–201%.This study provides novel strategy for improving the function of TB.
基金supported by the National Natural Science Foundation of China(Nos.32402278 and 32372463).
文摘This study investigated the DPP-IV inhibitory activity of taste-modulating peptides from porcine bone and elucidated their inhibitory mechanisms.Sensory evaluation identified seven peptides with effects on umami taste or saltiness enhancement.Computational tools predicted that they all possessed DPP-IV inhibitory potential.Post-digestion,GPTAANRM,GPGCKAGL,NLRDNYRF and GVNAMLRK exhibited superior DPP-IV inhibition(IC_(50):206.16-317.59μmol/L).Molecular docking revealed that all these four peptides interacted with active residues in S1,S2 and S3 pocket of DPP-IV and the Lineweaver-Burk plots indicated their competitive inhibition mechanism.All these peptides alleviated insulin resistance in HepG2 cells to some extent,with GPTAANRM and GPGCKAGL notably reducing the blood glucose curve area in C57BL/6 J mice.This research enhances our understanding of the beneficial role of taste-modulating peptides in diabetes management and suggests their potential in developing dietary strategies to optimize glycemic control in diabetic individuals.
基金the National Natural Science Foundation of China(Project No.32100013 and 82104060)the Science and Technology Planning Project of Liaoning Province(2023-BSBA-328)the Fund of CAS Key Laboratory of Forest Ecology and Silviculture,Institute of Applied Ecology,Chinese Academy of Sciences(No.KLFES-2028).
文摘Ganoderma is a well-known type of medicine food homology fungal taxa and is frequently utilized as a dietary supplement in traditional healthcare practices across Asian countries.With the development of molecular biology,an increasing number of Ganoderma species have been sorted out,making it necessary to further clarify the chemical composition of these species.The extracts collected from thirteen Ganoderma species were analyzed using LC-MS/MS and their metabolites were organized into a molecular network mapped with taxonomic information,which was used to determine the priority species.The subsequent MS-guided isolation of the solid culture of Ganoderma shandongense led to the discovery of 11 new triterpenoids(1-11)and 2 known ones(12–13).Their structures were confirmed by HRESIMS and NMR spectra.The absolute configurations were established by NMR calculations,modified Mosher’s method,and Mo_(2)(OAc)4-induced ECD analyses.The inhibitory effects of all compounds on AChE were assessed,and compounds 1,6,and 12 demonstrated better performance than the positive control,with IC_(50) values of 24.91,31.52,and 16.39μM,respectively.In addition,kinetic studies indicated that both 1 and 6 operate as mixed-type inhibitors,and the CD spectra revealed that 1 and 6 induced alterations in the secondary structure of AChE.Molecular docking suggested that 1 and 6 bind to the peripheral anionic site to inhibit AChE catalytic activity.
基金supported financially by Yunnan Key Laboratory Screening and Research on Anti-pathogenic Plant Resources from Western Yunnan(APR202301)Yunnan Revitalization Talent Support Program“Innovation Team”Project(202305AS350014)Foundation of DR.PLANT.
文摘Otteacumienes G-K(1-5),five pairs of enantiomeric diarylheptanoids,along with one undescribed diarylhepta-noid glycoside and one new lignan,were isolated from Ottelia acuminata var.acuminata.Compounds 1-5 were identified as five pairs of enantiomers and their structural configurations were determined through a combination of spectroscopic analysis,X-ray crystallography,and ECD calculation.Notably,compound 6 was the first diarylhep-tanoid glycoside isolated from this aquatic species,and its absolute configuration was unequivocally established through semi-synthesis.Biological evaluation demonstrated that compound 1 exhibited α-glucosidase inhibitory activity,with an inhibition ratio of 38.97%(acarbose as the positive control,inhibition ratio=13.52%).
基金supported by National Natural Science Foundations of China(32302247 and 32172326)Jiangxi Province High-Level Innovation and Entrepreneurship Team Project(jxsq2023105005)supported by the high-performance computing cluster platform of the School of Biotechnology,Jiangnan University.
文摘This study focused on the development of interpretable Quantitative Structure-Activity Relationship(QSAR)models to identify saponins with lipase inhibitory activity.A total of 50 saponins were screened to extract common structural features,and the SHAP algorithm was utilized to evaluate the contributions of R-groups to activity variations.Using six machine learning techniques combined with four molecular fingerprints,22 NAT-QSAR models were constructed to investigate the influence of R-groups on saponin activity.Among these,the NAT-QSAR1 model,developed with the Gaussian Process algorithm and ECFP4 fingerprinting,demonstrated superior interpretability(ACC=0.8125)and predictive accuracy(R^(2)=0.8320,RMSE=0.3586).The model identified 77 potential saponin structures with lipase inhibitory properties.Molecular docking further pinpointed two saponins,α-Boswellic acid and Gypsogenin,as novel lipase inhibitors.Subsequent analyses revealed strong binding affinities for these compounds,and in vitro assays confirmed their inhibitory effects,with IC50 values of 38μM and 101μM,respectively.This study provides a novel framework for developing dietary supplements targeting obesity and offers insights into the design of lipase inhibitors.
基金supported by the National Natural Science Foundation of China(81001371)the Science and Technology Foundation of Dalian city(2011J21DW012).
文摘Suaeda physophora Pall.is a kind of desert plant mostly growing in saline habitats in Xinjiang Uygur Autonomous Region.In order to have a better utilization of halophytes,a screening for ACE inhibitors from halophytes growing in Xinjiang was carried out.The result showed that the 70%EtOH extract and n-BuOH extract of S.physophora Pall.possessed significant ACE inhibitory activities.So we focused on its biochemical constituents firstly.One new quinazoline alkaloid,namely Suaedine(1),along with six known compounds(2–7)was isolated from the aerial parts of S.physophora Pall.The structure of the new quinazoline alkaloid was established by one-and two-dimensional nuclear magnetic resonance,optical rotation and mass spectrometry analysis.The flavonoid compounds(2–4)and phenolic compound(5)exhibited significant ACE activities.It was the first time to focus on the chemical constituents and bioactivities of this plant.
基金This work was supported by the National Key Research and Development Program of China(grant No.2021YFC2100600)National Natural Science Foundation of China(grant No.31830104)Science and Technology Commission of Shanghai Municipality(grant Nos.19JC1413000 and 19430750600)to L.B.We thank the Core Facility and Technical Service Center for SLSB and the Instrumental Analysis Center in SJTU for data collection.
文摘Acarbose is a potent glycosidase inhibitor widely used in the clinical treatment of type 2 diabetes mellitus(T2DM).Various acarbose analogs have been identified while exploring compounds with improved pharmacological properties.In this study,we found that AcbE from Actinoplanes sp.SE50/110 catalyzes the production of acarbose analogs that exhibit significantly improved inhibitory activity towardsα-amylase than acarbose.Recombinant AcbE mainly catalyzed the formation of two new compounds,namely acarstatins A and B,using acarbose as substrate.Using high-resolution mass spectrometry,nuclear magnetic resonance,and glycosidase hydrolysis,we elucidated their chemical structures as O-α-d-maltosyl-(1→4)-acarbose and O-α-d-maltotriosyl-(1→4)-acarbose,respectively.Acarstatins A and B exhibited 1584-and 1478-fold greater inhibitory activity towards human salivaryα-amylase than acarbose.Furthermore,both acarstatins A and B exhibited complete resistance to microbiome-derived acarbose kinase 1-mediated phosphorylation and partial resistance to acarbose-preferred glucosidase-mediated hydrolysis.Therefore,acarstatins A and B have great potential as candidate therapeutic agents for T2DM.
文摘A simple and efficient HPLC method was developed for quality analysis of flavonoids from Impatiens balsamina L.(IBL)flowers,which were collected from Xingjiang,Anhui,Henan,and Hubei provinces in China.The flavonoids substances in IBL were determined by HPLC through methyl alcohol ultrasonic extraction.A mixture of
基金This work was supported by the China Postdoctoral Science Foundation under grant No.2004035588.
文摘Tumor necrosis factor α （TNF-α） and interferon-γ （IFN-γ） are cytokines with strong antitumor activities. They were reacted with a photoactive arylazide-4-azidobenzoic acid, resulting in photoactive TNF-α and IFN-γ. The infrared （IR） spectra of these products showed the characteristic absorption of an azido group at 2127 cm^-1. By photo-immobilization, this modified TNF-α and IFN-γ were immobilized on polystyrene membranes for cell culture to prepare biomaterials. The micro-morphology of photoactive cytokines was observed with a scanning electron microscope （SEM）. The inhibitory effect on growth of Hela cells and inducing apoptosis activity of these two cytokines were analyzed by growth curve, transmission electron microscope （TEM） and fluorescence active cell sorter （FACS）. The results showed that co-immobilization of IFN-γ and TNF-α had significant inhibitory effect on growth of Hela cells, inhibitory rate up to 82%, and IFN-γ had obviously synergistic action.
